SCHEMBL5195346

SCHEMBL5195346

CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=NO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.57
KMT2A Q03164 12/20 0.57
MAPT P10636 12/20 0.57
ALDH1A1 P00352 8/20 0.57
ABCG2 Q9UNQ0 1/20 0.57
PKM P14618 1/20 0.57
AMY1A P0DUB6 1/20 0.53
POLB P06746 4/20 0.49
LMNA P02545 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 3/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 2/20 0.44
ALOX12 P18054 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
USP2 O75604 1/20 0.43
ACHE P22303 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5190926 1.00 MEN1 (0.57) MEN1KMT2AMAPTALDH1A1ABCG2
SCHEMBL6733051 0.81 MEN1 (0.64) MEN1KMT2AMAPTALDH1A1ABCG2
SCHEMBL5190207 0.79 MAPT (0.59) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL5190214 0.79 MAPT (0.59) MEN1KMT2AMAPTALDH1A1PKM
SCHEMBL12443555 0.79 AMY1A (0.49) MEN1KMT2AMAPTALDH1A1ABCG2
SCHEMBL11696867 0.78 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1ABCG2
SCHEMBL9525787 0.75 MEN1 (0.72) MEN1KMT2AMAPTALDH1A1ABCG2
SCHEMBL9525779 0.75 MEN1 (0.72) MEN1KMT2AMAPTALDH1A1ABCG2
SCHEMBL9525314 0.73 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1ABCG2
SCHEMBL11696851 0.71 CXCR2 (0.46) MEN1KMT2AMAPTALDH1A1ABCG2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1707187-B1 Reductive colorant for keratin fibres WELLA AG (DE) 2007-08-01 EP claimed
EP-1707187-A1 Reductive colorant for keratin fibres Wella Aktiengesellschaft (DE) 2006-10-04 EP claimed
EP-1707187-B1 Reductive colorant for keratin fibres WELLA AG (DE) 2007-08-01 EP disclosed
US-20060230548-A1 Reductive colorant for keratin fibres THE PROCTER & GAMBLE COMPANY 2006-10-19 US disclosed
WO-2006107595-A1 REDUCTIVE COLORANT FOR KERATIN FIBRES THE PROCTER & GAMBLE COMPANY (US) 2006-10-12 WO disclosed
EP-1707187-A1 Reductive colorant for keratin fibres Wella Aktiengesellschaft (DE) 2006-10-04 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060230548-A1 Reductive colorant for keratin fibres KRT18, COX6C, CYC1 MEN1 4140/4885KMT2A 994/4885MAPT 1101/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.